SCHEMBL8399331

SCHEMBL8399331

CCCCSc1ccc(N(CC#N)C(=O)CCC(=O)OCCC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
AR P10275 2/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
HPGD P15428 3/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAOA P21397 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8397040 0.94 SMN1; SMN2 (0.46) SMN1; SMN2THRATHRBARALDH1A1
SCHEMBL8399170 0.93 SMN1; SMN2 (0.41) SMN1; SMN2THRATHRBARALDH1A1
SCHEMBL8399279 0.90 AR (0.39) SMN1; SMN2THRATHRBARALDH1A1
SCHEMBL8395434 0.88 SMN1; SMN2 (0.48) SMN1; SMN2ARALDH1A1MAPTHPGD
SCHEMBL8396258 0.88 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTLMNANPSR1
SCHEMBL8395804 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL8399138 0.84 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDHSD17B10MEN1
SCHEMBL8395843 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTLMNANPSR1
SCHEMBL8396616 0.83 SMN1; SMN2 (0.38) SMN1; SMN2ARALDH1A1MAPTHPGD
SCHEMBL8399091 0.83 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTHPGDLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed